3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one

C10H13N5O2 — CID 114040934

IUPAC3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
SMILESCCCC(N)c1noc(-c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C10H13N5O2/c1-2-3-6(11)9-12-10(17-15-9)7-4-5-8(16)14-13-7/h4-6H,2-3,11H2,1H3,(H,14,16)
InChIKeyIPAACCKJCXYBJE-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.62
Rot. Bonds4

About 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one

3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one (PubChem CID 114040934) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
PubChem CID114040934
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
SMILESCCCC(N)c1noc(-c2ccc(=O)[nH]n2)n1
InChIInChI=1S/C10H13N5O2/c1-2-3-6(11)9-12-10(17-15-9)7-4-5-8(16)14-13-7/h4-6H,2-3,11H2,1H3,(H,14,16)
InChIKeyIPAACCKJCXYBJE-UHFFFAOYSA-N
XLogP0.62
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136710759
1-[5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 66157200
1-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 80641531
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325011
1-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62920470
1-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61323785
4-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylaniline
CID 61325213
1-[5-(2,3-dimethylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61326456
1-[5-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 107992698
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62278430
1-[5-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61325629
1-[5-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 63195096

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one (CID 114040934) is 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one is CCCC(N)c1noc(-c2ccc(=O)[nH]n2)n1.
What is the InChIKey of 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one?
The InChIKey is IPAACCKJCXYBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-2-3-6(11)9-12-10(17-15-9)7-4-5-8(16)14-13-7/h4-6H,2-3,11H2,1H3,(H,14,16).
What are the key properties of 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one?
3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one has a molecular weight of 235.25 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminobutyl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 114040934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).